loading...| Preferred Name |
safrole |
|
| Synonyms |
5-allyl-1,3-benzodioxole 5-(2-propenyl)-1,3-benzodioxole 3,4-(methylenedioxy)allylbenzene allylcatechol methylene ether 1,2-methylenedioxy-4-allylbenzene 4-allyl-1,2-methylenedioxybenzene 4-allylpyrocatechol formaldehyde acetal 1-allyl-3,4-methylenedioxybenzene 5-allyl-benzo[1,3]dioxole 3-(3,4-methylenedioxyphenyl)prop-1-ene m-allylpyrocatechin methylene ether safrol shikimol shikimole |
|
| Definitions |
A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8994 |
|
| charge |
0 |
|
| database_cross_reference |
Wikipedia:Safrole HMDB:HMDB0033591 PMID:7806308 PMID:19656034 PMID:21591240 PMID:7030889 PMID:6191767 PMID:15334724 PMID:21863093 PMID:21173435 PMID:24150866 KEGG:C10490 KNApSAcK:C00002771 PMID:21089955 PMID:23112005 Reaxys:136380 CAS:94-59-7 PMID:14422 |
|
| definition |
A member of the class of benzodioxoles that is 1,3-benzodioxole which is substituted by an allyl group at position 5. It is found in several plants, including black pepper, cinnamon and nutmeg, and is present in several essential oils, notably that of sassafras. It has insecticidal properties and has been used as a topical antiseptic. Although not thought to pose a significant carcinogenic risk to humans, findings of weak carcinogenicity in rats have resulted in the banning of its (previously widespread) use in perfumes and soaps, and as a food additive. |
|
| formula |
C10H10O2 |
|
| has_exact_synonym |
5-allyl-1,3-benzodioxole |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
5-(2-propenyl)-1,3-benzodioxole 3,4-(methylenedioxy)allylbenzene allylcatechol methylene ether 1,2-methylenedioxy-4-allylbenzene 4-allyl-1,2-methylenedioxybenzene 4-allylpyrocatechol formaldehyde acetal 1-allyl-3,4-methylenedioxybenzene 5-allyl-benzo[1,3]dioxole 3-(3,4-methylenedioxyphenyl)prop-1-ene m-allylpyrocatechin methylene ether safrol shikimol shikimole |
|
| id |
CHEBI:8994 |
|
| in_subset | ||
| inchi |
InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 |
|
| inchikey |
ZMQAAUBTXCXRIC-UHFFFAOYSA-N |
|
| label |
safrole |
|
| mass |
162.18520 |
|
| monoisotopicmass |
162.06808 |
|
| notation |
CHEBI:8994 |
|
| prefLabel |
safrole |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_24852 |
|
| smiles |
C=CCc1ccc2OCOc2c1 |
|
| subClassOf |